3-amino-5-(4,4-dimethylazepan-1-yl)-N-methyl-1,2-thiazole-4-carboxamide

C13H22N4OS — CID 103382135

IUPAC3-amino-5-(4,4-dimethylazepan-1-yl)-N-methyl-1,2-thiazole-4-carboxamide
SMILESCNC(=O)c1c(N)nsc1N1CCCC(C)(C)CC1
InChIInChI=1S/C13H22N4OS/c1-13(2)5-4-7-17(8-6-13)12-9(11(18)15-3)10(14)16-19-12/h4-8H2,1-3H3,(H2,14,16)(H,15,18)
InChIKeyRWXMDOYCODXSNV-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.10
Rot. Bonds2

About 3-amino-5-(4,4-dimethylazepan-1-yl)-N-methyl-1,2-thiazole-4-carboxamide

3-amino-5-(4,4-dimethylazepan-1-yl)-N-methyl-1,2-thiazole-4-carboxamide (PubChem CID 103382135) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is 3-amino-5-(4,4-dimethylazepan-1-yl)-N-methyl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-(4,4-dimethylazepan-1-yl)-N-methyl-1,2-thiazole-4-carboxamide
PubChem CID103382135
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC Name3-amino-5-(4,4-dimethylazepan-1-yl)-N-methyl-1,2-thiazole-4-carboxamide
SMILESCNC(=O)c1c(N)nsc1N1CCCC(C)(C)CC1
InChIInChI=1S/C13H22N4OS/c1-13(2)5-4-7-17(8-6-13)12-9(11(18)15-3)10(14)16-19-12/h4-8H2,1-3H3,(H2,14,16)(H,15,18)
InChIKeyRWXMDOYCODXSNV-UHFFFAOYSA-N
XLogP2.10
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(4,4-dimethylazepan-1-yl)-N-methyl-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-5-(4,4-dimethylazepan-1-yl)-N-methyl-1,2-thiazole-4-carboxamide (CID 103382135) is 3-amino-5-(4,4-dimethylazepan-1-yl)-N-methyl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-(4,4-dimethylazepan-1-yl)-N-methyl-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-5-(4,4-dimethylazepan-1-yl)-N-methyl-1,2-thiazole-4-carboxamide is CNC(=O)c1c(N)nsc1N1CCCC(C)(C)CC1.
What is the InChIKey of 3-amino-5-(4,4-dimethylazepan-1-yl)-N-methyl-1,2-thiazole-4-carboxamide?
The InChIKey is RWXMDOYCODXSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-13(2)5-4-7-17(8-6-13)12-9(11(18)15-3)10(14)16-19-12/h4-8H2,1-3H3,(H2,14,16)(H,15,18).
What are the key properties of 3-amino-5-(4,4-dimethylazepan-1-yl)-N-methyl-1,2-thiazole-4-carboxamide?
3-amino-5-(4,4-dimethylazepan-1-yl)-N-methyl-1,2-thiazole-4-carboxamide has a molecular weight of 282.41 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(4,4-dimethylazepan-1-yl)-N-methyl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103382135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).